3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride

C17H29Cl2N3O2 — CID 120612959

IUPAC3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
SMILESCC1(C)COCCN1CCNC(=O)CCc1ccccc1N.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-17(2)13-22-12-11-20(17)10-9-19-16(21)8-7-14-5-3-4-6-15(14)18;;/h3-6H,7-13,18H2,1-2H3,(H,19,21);2*1H
InChIKeyZUQRLZNCSJPYJA-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.27
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride

3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride (PubChem CID 120612959) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
PubChem CID120612959
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
SMILESCC1(C)COCCN1CCNC(=O)CCc1ccccc1N.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-17(2)13-22-12-11-20(17)10-9-19-16(21)8-7-14-5-3-4-6-15(14)18;;/h3-6H,7-13,18H2,1-2H3,(H,19,21);2*1H
InChIKeyZUQRLZNCSJPYJA-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(furan-2-yl)ethyl]urea
CID 166190211
3-(2-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide;hydrochloride
CID 120613594
2-[(3,3-dimethylmorpholin-4-yl)methyl]aniline
CID 61428614
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101366
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119876411
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea
CID 126771061

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride (CID 120612959) is 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride is CC1(C)COCCN1CCNC(=O)CCc1ccccc1N.Cl.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is ZUQRLZNCSJPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-17(2)13-22-12-11-20(17)10-9-19-16(21)8-7-14-5-3-4-6-15(14)18;;/h3-6H,7-13,18H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride?
3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 120612959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).